Molecular Docking in Drug Discovery
Rani T. Bhagat
*
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
Santosh R. Butle
School of Pharmacy, Swami Ramanand Teerth Marathwada University Nanded-431606, India.
Deepak S. Khobragade
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
Sagar B. Wankhede
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
Chandani C. Prasad
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
Divyani S. Mahure
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
Ashwini V. Armarkar
Datta Meghe College of Pharmacy, Datta Meghe Institute of Medical Sciences (Deemed to be University) Salod, Sawangi, Wardha-442107, India.
*Author to whom correspondence should be addressed.
Abstract
In last few years the Computer Aided Drug Design and Discovery is many success rates. In academics and many pharmaceutical industries for drug lead discovery they adopt the Computational Drug Design. The modern era of drug discovery and development structural information play an important role. For visualization of 3D-structure of molecule different docking program are developed. The docking score is analysed by using computer-based drug design software. It is structure based virtual screening method for the orientation, conformation, position into a structure of target molecule. Ligand and Protein docking is new concept. Molecular docking method complication is optimization of lead molecule, biological pathway evaluation and de Novo drug design.
Keywords: Molecular docking, binding, receptor, rigid, flexible